SCHEMBL28842736

SCHEMBL28842736

CC(C)(C)OC(=O)c1ccc(Oc2ccccc2)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.55
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TTR P02766 2/20 0.47
SLC7A5 Q01650 1/20 0.46
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29972954 0.92 USP2 (0.55) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14966928 0.84 TTR (0.48) TTRSLC7A5KDM4EHSD17B10BRD4
SCHEMBL2684958 0.84 USP2 (0.76) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27716723 0.83 IKBKB (0.46) USP2ALOX15SMN1; SMN2ALDH1A1GAA
SCHEMBL14879708 0.81 USP2 (0.55) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14966259 0.81 TTR (0.47) CYP1A2CYP2C19TTRSLC7A5ALDH1A1
SCHEMBL11773246 0.81 TTR (0.68) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL202364 0.81 HTT (0.59) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1852580 0.79 L3MBTL1 (0.57) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11702647 0.79 PARP10 (0.61) USP2CYP1A2CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066980-A Organic EL display device, method for producing cured product, and method for producing organic EL display device 东丽株式会社 2022-09-16 CN disclosed